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	hartrees
Energy at 0K	-626.436961
Energy at 298.15K
HF Energy	-626.436961
Nuclear repulsion energy	273.767199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3019	2.05
2	A₁	3204	2918	3.96
3	A₁	1551	1412	3.71
4	A₁	1466	1335	14.31
5	A₁	1190	1084	178.42
6	A₁	1085	988	3.91
7	A₁	739	673	3.69
8	A₁	506	461	39.60
9	A₁	285	259	3.31
10	A₂	3315	3019	0.00
11	A₂	1540	1402	0.00
12	A₂	1013	923	0.00
13	A₂	313	285	0.00
14	A₂	195	178	0.00
15	B₁	3320	3023	4.81
16	B₁	1558	1418	9.98
17	B₁	1360	1238	277.93
18	B₁	1070	974	0.06
19	B₁	372	339	0.55
20	B₁	226	206	0.44
21	B₂	3314	3017	0.04
22	B₂	3201	2915	0.19
23	B₂	1541	1403	4.87
24	B₂	1447	1318	7.34
25	B₂	1026	934	64.29
26	B₂	811	738	24.41
27	B₂	482	439	60.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.178
O2	-1.260	0.000	0.912
O3	1.260	0.000	0.912
C4	0.000	1.412	-0.906
C5	0.000	-1.412	-0.906
H6	0.000	2.281	-0.254
H7	0.000	-2.281	-0.254
H8	0.901	1.392	-1.513
H9	-0.901	1.392	-1.513
H10	-0.901	-1.392	-1.513
H11	0.901	-1.392	-1.513

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4584	1.4584	1.7799	1.7799	2.3218	2.3218	2.3682	2.3682	2.3682	2.3682
O2	1.4584		2.5204	2.6241	2.6241	2.8552	2.8552	3.5338	2.8189	2.8189	3.5338
O3	1.4584	2.5204		2.6241	2.6241	2.8552	2.8552	2.8189	3.5338	3.5338	2.8189
C4	1.7799	2.6241	2.6241		2.8236	1.0868	3.7502	1.0864	1.0864	3.0072	3.0072
C5	1.7799	2.6241	2.6241	2.8236		3.7502	1.0868	3.0072	3.0072	1.0864	1.0864
H6	2.3218	2.8552	2.8552	1.0868	3.7502		4.5626	1.7850	1.7850	3.9865	3.9865
H7	2.3218	2.8552	2.8552	3.7502	1.0868	4.5626		3.9865	3.9865	1.7850	1.7850
H8	2.3682	3.5338	2.8189	1.0864	3.0072	1.7850	3.9865		1.8020	3.3169	2.7847
H9	2.3682	2.8189	3.5338	1.0864	3.0072	1.7850	3.9865	1.8020		2.7847	3.3169
H10	2.3682	2.8189	3.5338	3.0072	1.0864	3.9865	1.7850	3.3169	2.7847		1.8020
H11	2.3682	3.5338	2.8189	3.0072	1.0864	3.9865	1.7850	2.7847	3.3169	1.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.623	S1	C4	H8	109.017
S1	C4	H9	109.017	S1	C5	H7	105.623
S1	C5	H10	109.017	S1	C5	H11	109.017
O2	S1	O3	119.558	O2	S1	C4	107.849
O2	S1	C5	107.849	O3	S1	C4	107.849
O3	S1	C5	107.849	C4	S1	C5	104.974
H6	C4	H8	110.448	H6	C4	H9	110.448
H7	C5	H10	110.448	H7	C5	H11	110.448
H8	C4	H9	112.063	H10	C5	H11	112.063

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	2.149
2	O	-1.166
3	O	-1.166
4	C	0.029
5	C	0.029
6	H	0.042
7	H	0.042
8	H	0.010
9	H	0.010
10	H	0.010
11	H	0.010

<r²>	127.634
(<r²>)^1/2	11.298

All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)